(1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine

C7H10N4 — CID 155049478

IUPAC(1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(\NC)c1ncn[nH]1
InChIInChI=1S/C7H10N4/c1-3-4-6(8-2)7-9-5-10-11-7/h3-5,8H,1H2,2H3,(H,9,10,11)/b6-4-
InChIKeyMUCMBBIQJTUUMH-XQRVVYSFSA-N
MW150.18 g/mol
LogP0.55
Rot. Bonds3

About (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine

(1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine (PubChem CID 155049478) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine
PubChem CID155049478
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name(1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine
SMILESC=C/C=C(\NC)c1ncn[nH]1
InChIInChI=1S/C7H10N4/c1-3-4-6(8-2)7-9-5-10-11-7/h3-5,8H,1H2,2H3,(H,9,10,11)/b6-4-
InChIKeyMUCMBBIQJTUUMH-XQRVVYSFSA-N
XLogP0.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(1H-1,2,4-triazol-5-yl)but-3-en-1-one
CID 79177579
N'-methyl-1H-1,2,4-triazole-5-carboximidamide
CID 135965193
N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide
CID 155075039
3-methylidene-1-(1H-1,2,4-triazol-5-yl)pentan-1-one
CID 66043842
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
5-ethenyl-1H-1,2,4-triazole
CID 19004185
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine
CID 143740810
2-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63652597
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine (CID 155049478) is (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine is C=C/C=C(\NC)c1ncn[nH]1.
What is the InChIKey of (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine?
The InChIKey is MUCMBBIQJTUUMH-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-4-6(8-2)7-9-5-10-11-7/h3-5,8H,1H2,2H3,(H,9,10,11)/b6-4-.
What are the key properties of (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine?
(1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine has a molecular weight of 150.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-1-(1H-1,2,4-triazol-5-yl)buta-1,3-dien-1-amine is sourced from PubChem (CID 155049478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).